butyl-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azanium

Systemtic Name: butyl-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azanium Openeye Name: butyl-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ammonium CAS Name: butyl-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ammonium IUPAC Name: butyl-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azanium Traditional Name: butyl-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ammonium Formula: C18H21ClNS+ MolecularWeight: 318.88404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CCCC[NH2+][C@@H]1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C18H20ClNS/c1-2-3-10-20-16-12-13-11-14(19)8-9-17(13)21-18-7-5-4-6-15(16)18/h4-9,11,16,20H,2-3,10,12H2,1H3/p+1/t16-/m1/s1